1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one

C17H14N4OS — CID 16730258

IUPAC1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one
SMILESCn1c(-c2ccc3nccnc3c2)c(-c2ccsc2)c(=O)n1C
InChIInChI=1S/C17H14N4OS/c1-20-16(11-3-4-13-14(9-11)19-7-6-18-13)15(17(22)21(20)2)12-5-8-23-10-12/h3-10H,1-2H3
InChIKeyIBBHFCIAWFFJHH-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.06
Rot. Bonds2

About 1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one

1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one (PubChem CID 16730258) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one.

Molecular Properties

Compound Name1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one
PubChem CID16730258
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one
SMILESCn1c(-c2ccc3nccnc3c2)c(-c2ccsc2)c(=O)n1C
InChIInChI=1S/C17H14N4OS/c1-20-16(11-3-4-13-14(9-11)19-7-6-18-13)15(17(22)21(20)2)12-5-8-23-10-12/h3-10H,1-2H3
InChIKeyIBBHFCIAWFFJHH-UHFFFAOYSA-N
XLogP3.06
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-amino-5-(thiophen-2-yl)phenyl]quinoxaline-6-carboxamide
CID 11393847
Thiophene derivative, 3i
CID 24857909
6,7-Dimethyl-2-(thiophen-2-yl)quinoxaline
CID 677565
1,2-Dimethyl-4-pyridin-2-yl-5-quinoxalin-6-yl-1,2-dihydro-pyrazol-3-one
CID 16730334
1,2-Dimethyl-5-quinoxalin-6-yl-4-thiophen-2-yl-1,2-dihydro-pyrazol-3-one
CID 16730419
1,2-dimethyl-4-phenyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
CID 16730828
1,2-dimethyl-4-(3-(methylthio)phenyl)-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
CID 16731074
2,2,2-Trifluoro-1-[5-(quinoxalin-6-yl)thiophen-2-yl]ethanone
CID 44543405
N-(quinolin-8-yl)thiophene-2-carboxamide
CID 683655
N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide
CID 736232
4-(benzo[b]thiophen-3-yl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
CID 16730505
(2-fluorophenyl)(5-(quinoxalin-6-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 17497974

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one?
The IUPAC name of 1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one (CID 16730258) is 1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one.
What is the SMILES notation for 1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one?
The canonical SMILES for 1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one is Cn1c(-c2ccc3nccnc3c2)c(-c2ccsc2)c(=O)n1C.
What is the InChIKey of 1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one?
The InChIKey is IBBHFCIAWFFJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-20-16(11-3-4-13-14(9-11)19-7-6-18-13)15(17(22)21(20)2)12-5-8-23-10-12/h3-10H,1-2H3.
What are the key properties of 1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one?
1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one has a molecular weight of 322.39 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-quinoxalin-6-yl-4-thiophen-3-ylpyrazol-3-one is sourced from PubChem (CID 16730258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).